4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine

C16H26N4 — CID 82061624

IUPAC4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
SMILESCCC(CC)c1nc2cc(C)cnc2n1CCCCN
InChIInChI=1S/C16H26N4/c1-4-13(5-2)15-19-14-10-12(3)11-18-16(14)20(15)9-7-6-8-17/h10-11,13H,4-9,17H2,1-3H3
InChIKeyKWVKOURGVMEPRE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.38
Rot. Bonds7

About 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine

4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine (PubChem CID 82061624) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
PubChem CID82061624
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
SMILESCCC(CC)c1nc2cc(C)cnc2n1CCCCN
InChIInChI=1S/C16H26N4/c1-4-13(5-2)15-19-14-10-12(3)11-18-16(14)20(15)9-7-6-8-17/h10-11,13H,4-9,17H2,1-3H3
InChIKeyKWVKOURGVMEPRE-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
CID 82152005
3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061574
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
CID 93209739
3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
CID 94749172
1-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)butan-2-amine
CID 82144064
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209647

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
The IUPAC name of 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine (CID 82061624) is 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
The canonical SMILES for 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine is CCC(CC)c1nc2cc(C)cnc2n1CCCCN.
What is the InChIKey of 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
The InChIKey is KWVKOURGVMEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-13(5-2)15-19-14-10-12(3)11-18-16(14)20(15)9-7-6-8-17/h10-11,13H,4-9,17H2,1-3H3.
What are the key properties of 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 82061624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).